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Journal of Physics. Condensed Matter : an Institute of Physics Journal|July 29, 2024
High ionic conductivity materials Li<sub>3</sub>YBr<sub>6</sub>and Li<sub>3</sub>LaBr<sub>6</sub>for solid-state batteries: first-principles calculationsYaping Li, Dylan McCoy, Justin Bordonaro, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|June 3, 2026
First-principles determination of ionic conductivity in crystalline and amorphous LiNbCl6 solid-state electrolytes for lithium batteriesYaping Li, Lawrence Lena Lena, Justin Bordonaro, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|July 19, 2023
First-principles investigation of stable lead-free halide perovskite materials CsSnCl<i></i>Br<i></i>I<sub>3-</sub>for solar cell applicationsYaping Li, Lanie G McKinney, Yuxuan He, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|May 17, 2011
First-principles studies for the stability of a graphene-like boron layer on CrB2(0001) and MoB2(0001)Na Qin, Shi-Yu Liu, Zhen Li, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|December 14, 2023
First-principles study of thermodynamic stability and mechanical properties of fifteen high-entropy quaternary metal disilicidesHuilun Zhang, Shi-Yu Liu, Shiyang Liu, et al.
The Journal of Chemical Physics|February 16, 2015
Ab initio atomistic thermodynamics study on the oxidation mechanism of binary and ternary alloy surfacesShi-Yu Liu, Shiyang Liu, De-Jun Li, et al.
Physical Chemistry Chemical Physics : PCCP|July 12, 2012
Oxidation mechanism of the intermetallic compound Ti3Al from ab initio thermodynamicsShi-Yu Liu, Shiyang Liu, Dejun Li, et al.
Acta Crystallographica. Section E, Crystallographic Communications|November 15, 2016
Synthesis and crystal structure of La<sub>21</sub>Cr<sub>8-2</sub> Al <sub></sub> Ge<sub>7-</sub> C<sub>12</sub> [<i>a</i> = 0.22 (2) and <i>b</i> = 0.758 (19)]Jaskarun Pabla, Yuri Janssen, Jack W Simonson
Journal of Physics. Condensed Matter : an Institute of Physics Journal|May 6, 2026
Hydrogen production from dimethyl ether on β-Mo<sub>2</sub>C(100): First-principles calculationsDeependra Shah, Sanwu Wang
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